| SpectraBase Compound ID | 7vlgo6fdA7u |
|---|---|
| InChI | InChI=1S/C12H14O/c13-12-8-4-3-6-10-5-1-2-7-11(10)9-12/h1-2,5,7H,3-4,6,8-9H2 |
| InChIKey | YWKDMMYOYNTWNY-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C12H14O |
| Exact Mass | 174.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5iMVL7WrHp |
|---|---|
| Name | 7,8,9,10-Tetrahydro-6(5H)-benzocyclooctenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.104465070 u |
| Formula | C12H14O |
| InChI | InChI=1S/C12H14O/c13-12-8-4-3-6-10-5-1-2-7-11(10)9-12/h1-2,5,7H,3-4,6,8-9H2 |
| InChIKey | YWKDMMYOYNTWNY-UHFFFAOYSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C=12CC(=O)CCCCC2=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953348 |